[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate

C12H14N4O4S — CID 70667580

IUPAC[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCC(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C12H14N4O4S/c1-6(17)19-5-7-2-3-9(20-7)16-10-8(21-12(16)18)4-14-11(13)15-10/h4,7,9H,2-3,5H2,1H3,(H2,13,14,15)/t7-,9?/m0/s1
InChIKeyCFOKIIGTSPXAAK-JAVCKPHESA-N
MW310.34 g/mol
LogP0.68
Rot. Bonds3

About [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate

[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate (PubChem CID 70667580) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
PubChem CID70667580
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCC(n2c(=O)sc3cnc(N)nc32)O1
InChIInChI=1S/C12H14N4O4S/c1-6(17)19-5-7-2-3-9(20-7)16-10-8(21-12(16)18)4-14-11(13)15-10/h4,7,9H,2-3,5H2,1H3,(H2,13,14,15)/t7-,9?/m0/s1
InChIKeyCFOKIIGTSPXAAK-JAVCKPHESA-N
XLogP0.68
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate (CID 70667580) is [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1CCC(n2c(=O)sc3cnc(N)nc32)O1.
What is the InChIKey of [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The InChIKey is CFOKIIGTSPXAAK-JAVCKPHESA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-6(17)19-5-7-2-3-9(20-7)16-10-8(21-12(16)18)4-14-11(13)15-10/h4,7,9H,2-3,5H2,1H3,(H2,13,14,15)/t7-,9?/m0/s1.
What are the key properties of [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate?
[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate has a molecular weight of 310.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 70667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).